N-{3-[bis(2-methylpropyl)amino]propyl}-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-{3-[bis(2-methylpropyl)amino]propyl}-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-{3-[bis(2-methylpropyl)amino]propyl}-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-9032 |
| Compound Name: | N-{3-[bis(2-methylpropyl)amino]propyl}-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 569.81 |
| Molecular Formula: | C35 H43 N3 O2 S |
| Smiles: | CC(C)CN(CCCNC(c1ccc(\C=C2/C(N(Cc3ccccc3C)c3ccccc3S2)=O)cc1)=O)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 7.7345 |
| logD: | 4.9391 |
| logSw: | -5.6436 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.558 |
| InChI Key: | GEDPXEOFGQGQGP-UHFFFAOYSA-N |